Cas no 57279-70-6 (4-Bromo-2-ethoxy-1-nitrobenzene)

4-Bromo-2-ethoxy-1-nitrobenzene is a substituted aromatic compound featuring bromo, ethoxy, and nitro functional groups. Its distinct structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both electron-withdrawing (nitro) and electron-donating (ethoxy) groups enhances its reactivity in electrophilic and nucleophilic substitution reactions. The bromo substituent further allows for versatile functionalization via cross-coupling reactions. This compound is characterized by high purity and stability, ensuring consistent performance in synthetic applications. Its well-defined properties make it a reliable choice for researchers and industrial chemists seeking precise control in complex molecular transformations.
4-Bromo-2-ethoxy-1-nitrobenzene structure
57279-70-6 structure
Product Name:4-Bromo-2-ethoxy-1-nitrobenzene
CAS No:57279-70-6
MF:C8H8BrNO3
MW:246.05802154541
MDL:MFCD18783102
CID:367192
PubChem ID:15555501
Update Time:2025-06-23

4-Bromo-2-ethoxy-1-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-ethoxy-1-nitrobenzene
    • 4-(2-Bromoethoxy)-1-nitrobenzene
    • Benzene,4-bromo-2-ethoxy-1-nitro-
    • 2-nitro-5-bromophenetole
    • 5-Brom-2-nitro-1-aethoxy-benzol
    • 5-Brom-2-nitro-phenetol
    • 5-bromo-2-nitro-phenetole
    • 5-bromo-2-nitrophenyl ethyl ether
    • Benzene,4-bromo-2-ethoxy-1-nitro
    • SVFZXFVVGNPTEF-UHFFFAOYSA-N
    • 1-Bromo-3-ethoxy-4-nitrobenzene
    • 4-Bromo-2-ethoxy-1-nitro-benzene
    • AK105138
    • V1687
    • MFCD18783102
    • SCHEMBL309636
    • SY104665
    • 57279-70-6
    • DTXSID20574056
    • AKOS015888474
    • A869726
    • DS-4453
    • AB16114
    • MDL: MFCD18783102
    • Inchi: 1S/C8H8BrNO3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2H2,1H3
    • InChI Key: SVFZXFVVGNPTEF-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OCC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 244.96900
  • Monoisotopic Mass: 244.96876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55
  • XLogP3: 2.8

Experimental Properties

  • Boiling Point: 351.2°C at 760 mmHg
  • PSA: 55.05000
  • LogP: 2.89170

4-Bromo-2-ethoxy-1-nitrobenzene Security Information

4-Bromo-2-ethoxy-1-nitrobenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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4-Bromo-2-ethoxy-1-nitrobenzene Production Method

4-Bromo-2-ethoxy-1-nitrobenzene Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:57279-70-6)4-Bromo-2-ethoxy-1-nitrobenzene
Order Number:A869726
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:19
Price ($):845.0

Additional information on 4-Bromo-2-ethoxy-1-nitrobenzene

Chemical Profile of 4-Bromo-2-ethoxy-1-nitrobenzene (CAS No. 57279-70-6)

4-Bromo-2-ethoxy-1-nitrobenzene, identified by its Chemical Abstracts Service (CAS) number 57279-70-6, is a significant intermediate in the field of organic synthesis and pharmaceutical chemistry. This compound belongs to the class of nitroaromatics, which have been extensively studied due to their versatile reactivity and utility in various synthetic pathways. The presence of both bromine and ethoxy substituents on the benzene ring imparts unique chemical properties, making it a valuable building block for the development of more complex molecules.

The structural features of 4-Bromo-2-ethoxy-1-nitrobenzene include a nitro group at the para position relative to the bromine atom and an ethoxy group at the ortho position. This specific arrangement influences its electronic distribution and reactivity, enabling it to participate in a wide range of chemical transformations. For instance, the nitro group can be reduced to an amine, while the bromine atom can undergo substitution reactions, leading to further functionalization.

In recent years, 4-Bromo-2-ethoxy-1-nitrobenzene has garnered attention in the pharmaceutical industry for its role in synthesizing bioactive compounds. Researchers have leveraged its structural framework to develop novel therapeutic agents targeting various diseases. One notable area of interest is its application in the synthesis of kinase inhibitors, which are crucial in treating cancers and inflammatory disorders. The nitroaromatic core provides a scaffold that can be modified to enhance binding affinity and selectivity towards specific protein targets.

The compound's utility extends beyond pharmaceuticals into materials science and agrochemicals. In materials science, nitroaromatic derivatives are often employed in the synthesis of liquid crystals and conductive polymers due to their ability to form stable, ordered structures. Additionally, agrochemical researchers have explored its derivatives as potential herbicides and fungicides, where the electron-withdrawing nature of the nitro group enhances their biological activity.

Recent advancements in synthetic methodologies have further highlighted the importance of 4-Bromo-2-ethoxy-1-nitrobenzene. Transition-metal-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, have been utilized to introduce additional functional groups onto its aromatic ring. These reactions allow for precise control over molecular architecture, enabling the creation of highly specialized compounds with tailored properties.

The pharmaceutical industry has also seen significant developments in drug discovery strategies involving 4-Bromo-2-ethoxy-1-nitrobenzene. High-throughput screening (HTS) techniques have been employed to identify lead compounds derived from this scaffold. Furthermore, computational modeling has played a pivotal role in predicting how modifications to its structure will affect biological activity. These computational approaches help streamline the drug development process by minimizing experimental trials.

In conclusion, 4-Bromo-2-ethoxy-1-nitrobenzene (CAS No. 57279-70-6) is a multifaceted compound with broad applications across multiple scientific disciplines. Its unique structural features make it an indispensable tool for synthetic chemists and researchers working on drug development, materials science, and agrochemicals. As research continues to uncover new methodologies and applications, this compound is poised to remain a cornerstone in chemical synthesis for years to come.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:57279-70-6)4-Bromo-2-ethoxy-1-nitrobenzene
A869726
Purity:99%
Quantity:25g
Price ($):845.0
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